1,2,3,7,9-pentachlorodibenzofuran

Synonyms: "1,2,3,7,9-pentachloro-dibenzofuran"

Source: 1,2,3,7,9-pentachlorodibenzofuran is one of the polychlorinated dibenzofurans (PCDFs), which are ubiquitous environmental contaminants, usually formed as byproducts of the production and use of polychlorinated biphenyls (PCBs).

Identifiers:

IUPAC Name: 1,2,3,7,9-pentachlorodibenzofuran
CAS Number: 83704-53-4
PubChem ID: 55133
InChiKey: JVUSEQPOWCBYNG-UHFFFAOYSA-N
Canonical SMILES: C1=C(C=C2C(=C1Cl)C3=C(C(=C(C=C3O2)Cl)Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₃Cl₅O
Molecular Weight: 340.417

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18

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3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Harris M, Zacharewski T, Safe S. 1990. Effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin and related compounds on the occupied nuclear estrogen receptor in MCF-7 human breast cancer cells. Cancer Res 50(12):3579-3584.

Krishnan V, Safe S. 1993. Polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs), and dibenzofurans (PCDFs) as antiestrogens in MCF-7 human breast cancer cells: quantitative structure-activity relationships. Toxicol Appl Pharmacol 120(1):55-61.

Mason G, Sawyer T, Keys B, Bandiera S, Romkes M, Piskorska-Pliszczynska J, Zmudzka B, Safe S. 1985. Polychlorinated dibenzofurans (PCDFs): correlation between in vivo and in vitro structure-activity relationships. Toxicology 37(1-2):1-12.